In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2008 | 28 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -5.78 | -0.13 | -151.41 | 7 | 13 | -2 | 249 | 402.36 | 14 | ↓ |
Hi High (pH 8-9.5) | -5.78 | -0.39 | -183.48 | 6 | 13 | -3 | 248 | 401.352 | 14 | ↓ |